Neural Network Prediction of Mass Transfer Coefficients in Distillation Columns Using Aspen Hysys
DOI:
https://doi.org/10.31272/jeasd.2686Keywords:
Aspen Hysys, Distillation, Mass Transfer Coefficient, Neural Network, SimulationAbstract
Predicting the mass transfer coefficient (K) is one of the most important parameters in industrial separation processes, as it greatly determines the efficacy of distillation in separating components between the liquid and vapor phases. Traditional approaches find it difficult to model K dependence on operational factors such as reflux ratio, molar feed flow rate, and feed composition. This research combines the Aspen Hysys simulation and artificial neural networks (ANNs) to write K as a function of these variables in a benzene-toluene binary system. Aspen Hysys was used to simulate a continuous distillation column that produced K values under different conditions. This data was used to train an ANN (3:4:1 multilayer perceptron) to predict K. The ANN's training performance was 95.3%, and its predictive accuracy was high. This composite method can improve predictive performance in the optimization of distillation column design and operation. It can be effectively used as a tool in industrial practice.
References
Z. Wei, B. Zhang, S. Wu, Q. Chen, and G. Tsatsaronis, "Energy-use analysis and evaluation of distillation systems through avoidable exergy destruction and investment costs," Energy, vol. 42, no. 1, pp. 424-433, 2012. doi: https://doi.org/10.1016/j.energy.2012.03.026.
D. Zadravec et al., "Towards a comprehensive approach to optimal control of non-ideal binary batch distillation," Optimization and Engineering, vol. 23, no. 4, pp. 2111-2141, 2022. doi: https://doi.org/10.1007/s11081-022-09727-2
C.-Y. Zhao et al., "A comprehensive review on computational studies of falling film hydrodynamics and heat transfer on the horizontal tube and tube bundle," Applied Thermal Engineering, vol. 202, p. 117869, 2022. doi: https://doi.org/10.1016/j.applthermaleng.2021.117869.
S. Niazi, J. A. Díaz-López, and A. Nieto-Márquez, "Improvement of energy efficiency and production performance in a heteroazeotropic batch distillation unit: A study on decanter control and feeding strategy," Separation and Purification Technology, vol. 357, p. 130132, 2025. doi: https://doi.org/10.1016/j.seppur.2024.130132.
H. Li, et al., "Dynamic real-time energy saving control of pressure-swing distillation based on artificial neural networks," Chemical Engineering Science, vol. 282, p. 119271, 2023. doi: https://doi.org/10.1016/j.ces.2023.119271.
S, Yongli, Q Zhao, L Zhang, and B Jiang. "Measurement and correlation of the mass-transfer coefficient for the methyl isobutyl ketone–water–phenol system." Industrial & Engineering Chemistry Research, vol 53, no. 9 2014: 3654-3661.https://doi.org/10.1021/ie4036862
D. Radev, D. Georgiev, D. Koleva, and M. Karaivanova, "Comparison of mass transfer coefficients determined by different methods in a distillation column with three trays," Science & Technologies, pp. 44-48, 2014. [Online]. Available: https://www.sustz.com/journal/VolumeIV/Number4/Papers/DianRadev1.pdf
Z. Stefanov and Z. Ivanov, "Gas-liquid mass transfer coefficient in sieve tray laboratory column," Science & Technologies, vol. 1, no. 4, pp. 34-38, 2011. [Online].https://www.sustz.com/journal/VolumeI/Number4/Papers/ZhelchoStefanov1.pdf.
P. Pan, et al., "Bubble columns with internals: A review on research methodology and process intensification," Chemical Engineering and Processing - Process Intensification, vol. 209, p. 110156, 2025. doi: https://doi.org/10.1016/j.cep.2025.110156.
P. Shahana, A. Jaleel, and N. Priya, "Neural network for identification of heat integrated distillation column," in 2020 International Conference on Futuristic Technologies in Control Systems & Renewable Energy (ICFCR), 2020, pp. 1-6. doi: https://doi.org/10.1109/ICFCR50903.2020.9249964.
A. K. Singh, B. Tyagi, and V. Kumar, "First principle modeling and neural network–based empirical modeling with experimental validation of binary distillation column," Chemical Product and Process Modeling, vol. 8, no. 1, pp. 53-70, 2013. doi: https://doi.org/10.1515/cppm-2013-0011.
H. Osman and A. Arabi, "Distillation column machine learning model controlled by optimized DMC," in 2022 22nd International Conference on Control, Automation and Systems (ICCAS), 2022, pp. 1184-1189. doi: https://doi.org/10.23919/ICCAS55662.2022.10003925.
J. Lee, et al., "Development of the quantitative property–consequence relationship model for prediction of hydrogen leakage and dispersion using response surface method and artificial neural network approaches," ACS Omega, vol. 9, no. 39, pp. 40857-40869, 2024. doi: https://doi.org/10.1021/acsomega.4c05841.
N. Elshaboury and M. Marzouk, "Prioritizing water distribution pipelines rehabilitation using machine learning algorithms," Soft Computing, vol. 26, no. 11, pp. 5179-5193, 2022. doi: https://doi.org/10.1007/s00500-022-06970-8.
V. Steffen, M. Schmidt de Oliveira, and E. A. da Silva, "A systematic review of the literature on steady-state reactive distillation modeling and simulation: Challenges and opportunities," in Solvents - Dilute, Dissolve, and Disperse - Insights on Green Solvents and Distillation, 2024. [Online]. Available: https://www.intechopen.com/chapters/1171550
N. Zhao and J. Lu, "Review of neural network algorithm and its application in temperature control of distillation tower," Journal of Engineering Research and Reports, vol. 20, no. 4, pp. 50-61, 2021. doi: https://doi.org/10.9734/jerr/2021/v20i417294.
J. Luo, et al., "Machine learning-based predictive control using on-line model linearization: Application to an experimental electrochemical reactor," Chemical Engineering Research and Design, vol. 197, pp. 721-737, 2023. doi: https://doi.org/10.1016/j.cherd.2023.08.017.
B, Affan, W Mulyo U, Sharifah Saon, and Arief Budi Laksono. "Optimization of coagulation process in water treatment plant using artificial intelligence: A systematic literature review and framework." Journal of Robotics and Control (JRC) 6, no. 5.2025. 2471-2487. https://doi.org/10.18196/jrc.v6i5.27621
M. Agnese, G Boccardo, and R Pisano. "Enhancing Mass Transfer Coefficient Prediction from Field Emission Scanning Electron Microscope Images Through Convolutional Neural Networks and Data Augmentation Techniques." Processes 13, no. 2. 2025. 365. https://doi.org/10.3390/pr13020365
M. M. May-Vázquez, F. I. Gómez-Castro, E. S. Rawlings, V. Rico-Ramírez, and M. A. Rodríguez-Ángeles, "Optimal control of a rate-based modelled batch distillation column: Initialization strategy," Computers & Chemical Engineering, vol. 162, p. 107811, 2022. doi: https://doi.org/10.1016/j.compchemeng.2022.107811.
E.-N. Dragoi and Y. Vasseghian, "Modeling of mass transfer in vacuum membrane distillation process for radioactive wastewater treatment using artificial neural networks," Toxin Reviews, vol. 40, no. 4, pp. 1526-1535, 2021. doi: https://doi.org/10.1080/15569543.2020.1744659.
H. J. Hübschmann, Handbook of GC-MS: Fundamentals and Applications. Hoboken, NJ, USA: John Wiley & Sons, 2025. [Online]. Available: https://www.wiley.com/en-gb/shop/general-chemistry/handbook-of-gc-ms-fundamentals-and-applications-4th-edition-p-9783527354030
T. Coelho, O. Souza, N. Sellin, S. Medeiros, and C. Marangoni, "Analysis of the reflux ratio on the batch distillation of bioethanol obtained from lignocellulosic residue," Procedia Engineering, vol. 42, pp. 131-139, 2012. doi: https://doi.org/10.1016/j.proeng.2012.07.403.
R. Billet and M. Schultes, "Prediction of mass transfer columns with dumped and arranged packings: Updated summary of the calculation method of Billet and Schultes," Chemical Engineering Research and Design, vol. 77, no. 6, pp. 498-504, 1999. doi: https://doi.org/10.1205/026387699526520.
T. L. Domingues, A. R. Secchi, and T. F. Mendes, "Efficiency evaluation of valve trays with downcomer and dualflow trays of industrial distillation columns," in Mercosur Congress on Chemical Engineering, Costa Verde, RJ, Brazil, 2005. [Online]. Available: https://scispace.com/pdf/efficiency-evaluation-of-valve-trays-with-downcomer-and-3dwdyc37ym.pdf.
A. Zarei, S. H. Hosseini, and R. Rahimi, "CFD and experimental studies of liquid weeping in the circular sieve tray columns," Chemical Engineering Research and Design, vol. 91, no. 12, pp. 2333-2345, 2013. doi: https://doi.org/10.1016/j.cherd.2013.03.006.
J. G. Stichlmair, H. Klein, and S. Rehfeldt, Distillation: Principles and Practice, 2nd ed. Hoboken, NJ, USA: John Wiley & Sons, 2021. [Online]. Available: https://www.wiley.com/en-us/Distillation%3A+Principles+and+Practice%2C+2nd+Edition-p-9781119414667.
Ž. Olujić, A. Seibert, B. Kaibel, H. Jansen, T. Rietfort, and E. Zich, "Performance characteristics of a new high-capacity structured packing," Chemical Engineering and Processing: Process Intensification, vol. 42, no. 1, pp. 55-60, 2003. doi: https://doi.org/10.1016/S0255-2701(02)00019-3.
B. E. Poling, J. M. Prausnitz, and J. P. O'Connell, The Properties of Gases and Liquids, 5th ed. New York, NY, USA: McGraw-Hill, 2004. [Online]. Available: https://www.mheducation.com/highered/mhp/product/properties-gases-liquids-5e.html?viewOption=student
J. Gmehling, Z. Xue, and T. Mu, "Reply to 'Comments on “Comparison of the a priori COSMO-RS models and group contribution methods: Original UNIFAC, modified UNIFAC (Do), and modified UNIFAC (Do) consortium”’," Industrial & Engineering Chemistry Research, vol. 51, no. 41, pp. 13541-13543, 2012. doi: https://doi.org/10.1021/ie3024142
M. B. Shiflett and A. Yokozeki, "Solubilities and diffusivities of carbon dioxide in ionic liquids: [bmim][PF6] and [bmim][BF4]," Industrial & Engineering Chemistry Research, vol. 44, no. 12, pp. 4453-4464, 2005. doi: https://doi.org/10.1021/ie058003d.
C. A. Sternling and L. E. Scriven, "Interfacial turbulence: Hydrodynamic instability and the Marangoni effect," AIChE Journal, vol. 5, no. 4, pp. 514-523, 1959. doi: https://doi.org/10.1002/aic.690050421.
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Copyright (c) 2026 Shahad Z. Al-Najjar, Hayder A. Alhameedi, Salih A. Rushdi, Zainab T. Al-Sharify, Helen Onyeaka, Suzanne Alsamaq (Author)

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